Predicted ligand sequences


ADAN-name: 2GBQ2.PDB (view again the scoring matrix)

PDB name: [2GBQ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V P P P V P P R R R
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
 A
A
 A
A
A
 A
A
 A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 2.871 ΔGbinding -12.690
TOTAL
 -9.819
Backbone Hb -1.330 Cis_bond 0.000
Sidechain Hb -1.410 Torsional clash 0.060
Van der Waals -9.770 Backbone clash 0.450
Electrostatics -3.600 Helix dipole 0.000
Solvation Polar 9.720 Water bridges -0.330
Solvation Hyd -12.270 Disulfide 0.000
VdW clashes 0.690 Electrost. Kon -1.990
Entropy sc 5.250 Part.cov.bonds 0.000
Entropy mc

2.300

 ΔGstability

19.810
       

Predicted ligand sequences for template [2GBQ2.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  2GBQ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPIVPRRHM 0.0
2 RRPTVPRRHM 0.0
3 RRPVVPRRHM 0.0
4 RRPVVPHRHM 0.03
5 RRPTVPHRHM 0.03
6 RRPIVPHRHM 0.03
7 RRPIVPRMHM 0.04
8 RRPTVPRMHM 0.04
9 RRPVVPRMHM 0.04
10 GRPIVPRRHM 0.05
11 GRPTVPRRHM 0.05
12 GRPVVPRRHM 0.05
13 RRPTVPKRHM 0.06
14 RRPVVPKRHM 0.06
15 RRPIVPKRHM 0.06
16 RRPVVPHMHM 0.07
17 RRPIVPHMHM 0.07
18 RRPTVPHMHM 0.07
19 GRPVVPHRHM 0.08
20 GRPIVPHRHM 0.08
21 GRPTVPHRHM 0.08
22 ARPTVPRRHM 0.09
23 GRPIVPRMHM 0.09
24 ARPIVPRRHM 0.09
25 GRPVVPRMHM 0.09
26 GRPTVPRMHM 0.09
27 ARPVVPRRHM 0.09
28 RRPVVPKMHM 0.1
29 RRPIVPKMHM 0.1
30 RRPTVPKMHM 0.1
31 GRPIVPKRHM 0.11
32 RRPIVPRRHL 0.11
33 GRPVVPKRHM 0.11
34 GRPTVPKRHM 0.11
35 RRPTVPRRHL 0.11
36 RRPVVPRRHL 0.11
37 ARPIVPHRHM 0.12
38 GRPTVPHMHM 0.12
39 GRPIVPHMHM 0.12
40 ARPTVPHRHM 0.12
41 ARPVVPHRHM 0.12
42 GRPVVPHMHM 0.12
43 ARPVVPRMHM 0.13
44 RRPTVPRRKM 0.13
45 ARPTVPRMHM 0.13
46 RRPVVPRRKM 0.13
47 RRPVVPRRGM 0.13
48 RRPTVPRRGM 0.13
49 RRPIVPRRKM 0.13
50 ARPIVPRMHM 0.13
51 RRPIVPRRGM 0.13
52 RRPVVPHRHL 0.14
53 RRPTVPHRHL 0.14
54 RRPIVPHRHL 0.14
55 RRPIVPRMHL 0.15
56 ARPVVPKRHM 0.15
57 GRPTVPKMHM 0.15
58 ARPIVPKRHM 0.15
59 GRPVVPKMHM 0.15
60 RRPTVPRMHL 0.15
61 RRPVVPRMHL 0.15
62 ARPTVPKRHM 0.15
63 GRPIVPKMHM 0.15
64 GRPIVPRRHL 0.16
65 RRPTVPHRKM 0.16
66 RRPIVPHRGM 0.16
67 RRPIVPHRKM 0.16
68 RRPTVPHRGM 0.16
69 RRPVVPHRKM 0.16
70 RRPVVPHRGM 0.16
71 ARPIVPHMHM 0.16
72 GRPTVPRRHL 0.16
73 GRPVVPRRHL 0.16
74 ARPVVPHMHM 0.16
75 ARPTVPHMHM 0.16
76 RRPVVPRMKM 0.17
77 RRPTVPKRHL 0.17
78 RRPVVPKRHL 0.17
79 RRPIVPKRHL 0.17
80 RRPIVPRMGM 0.17
81 RRPIVPRMKM 0.17
82 RRPTVPRMGM 0.17
83 RRPTVPRMKM 0.17
84 RRPVVPRMGM 0.17
85 GRPVVPRRGM 0.18
86 GRPTVPRRKM 0.18
87 GRPTVPRRGM 0.18
88 RRPVVPHMHL 0.18
89 GRPVVPRRKM 0.18
90 RRPIVPHMHL 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GRPIVPRRHM

3.72

-14.4

-10.68
2 RRPTVPKRHM

3.8

-14.26

-10.46
3 GRPVVPHRHM

4.07

-14.42

-10.35
4 RRPVVPRRHM

3.88

-14.08

-10.2
5 GRPTVPRRHM

3.5

-13.31

-9.81
6 RRPTVPHRHM

2.6

-12.31

-9.71
7 ARPVVPRRHM

3.54

-13.22

-9.68
8 RRPTVPRRHM

3.35

-12.84

-9.49
9 RRPIVPHMHM

2.85

-12.3

-9.45
10 GRPVVPRRHM

3.54

-12.98

-9.44
11 RRPVVPKMHM

2.8

-12.19

-9.39
12 RRPTVPRMHM

2.73

-12.07

-9.34
13 GRPTVPHRHM

3.4

-12.52

-9.12
14 RRPIVPKRHM

2.73

-11.85

-9.12
15 RRPVVPHRHM

2.55

-11.66

-9.11
16 RRPIVPHRHM

2.92

-12.0

-9.08
17 RRPIVPRRHM

2.73

-11.78

-9.05
18 GRPTVPRMHM

3.25

-12.08

-8.83
19 RRPTVPKMHM

2.57

-11.34

-8.77
20 GRPIVPHRHM

2.98

-11.73

-8.75
21 GRPVVPRMHM

2.63

-11.31

-8.68
22 ARPTVPRRHM

3.57

-12.23

-8.66
23 RRPTVPHMHM

2.62

-11.24

-8.62
24 ARPIVPRRHM

3.17

-11.77

-8.6
25 RRPVVPKRHM

3.28

-11.71

-8.43
26 GRPIVPRMHM

3.1

-11.51

-8.41
27 RRPVVPRMHM

3.52

-11.79

-8.27
28 RRPIVPRMHM

2.92

-11.11

-8.19
29 RRPIVPKMHM

2.99

-10.91

-7.92
30 RRPVVPHMHM

3.3

-10.39

-7.09

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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